2-[4-[2-chloranyl-3-(trifluoromethyl)phenyl]carbonyl-2-oxidanylidene-piperazin-1-yl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-chloranyl-3-(trifluoromethyl)phenyl]carbonyl-2-oxidanylidene-piperazin-1-yl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-chloro-3-(trifluoromethyl)benzoyl]-2-oxo-piperazin-1-yl]-5-fluoro-benzonitrile CAS Name: 2-[4-[[2-chloro-3-(trifluoromethyl)phenyl]-oxomethyl]-2-oxo-1-piperazinyl]-5-fluorobenzonitrile IUPAC Name: 2-[4-[2-chloro-3-(trifluoromethyl)benzoyl]-2-oxopiperazin-1-yl]-5-fluorobenzonitrile Traditional Name: 2-[4-[2-chloro-3-(trifluoromethyl)benzoyl]-2-keto-piperazino]-5-fluoro-benzonitrile Formula: C19H12ClF4N3O2 MolecularWeight: 425.764093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)C2=C(C(=CC=C2)C(F)(F)F)Cl)C3=C(C=C(C=C3)F)C#N

Isomeric SMILES

C1CN(C(=O)CN1C(=O)C2=C(C(=CC=C2)C(F)(F)F)Cl)C3=C(C=C(C=C3)F)C#N

InChI

InChI=1S/C19H12ClF4N3O2/c20-17-13(2-1-3-14(17)19(22,23)24)18(29)26-6-7-27(16(28)10-26)15-5-4-12(21)8-11(15)9-25/h1-5,8H,6-7,10H2